CID 3035215

2,4-dinitrofluorobenzene sulfonic acid

Structural Information

Molecular Formula
C6H3FN2O7S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)OF
InChI
InChI=1S/C6H3FN2O7S/c7-16-17(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
InChIKey
PGTKZDGTYHMWNK-UHFFFAOYSA-N
Compound name
fluoro 2,4-dinitrobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

120
References

0
Patents

265.9645 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.97178 147.4
[M+Na]+ 288.95372 154.2
[M-H]- 264.95722 150.3
[M+NH4]+ 283.99832 161.5
[M+K]+ 304.92766 144.2
[M+H-H2O]+ 248.96176 149.1
[M+HCOO]- 310.96270 167.1
[M+CH3COO]- 324.97835 179.2
[M+Na-2H]- 286.93917 156.8
[M]+ 265.96395 146.0
[M]- 265.96505 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.